[1-methyl-3-oxidanidyl-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-fluoranylbenzoate

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-fluoranylbenzoate Openeye Name: [1-methyl-3-oxido-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [1-methyl-3-oxido-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [3-(5-amylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H23FN4O5S2 MolecularWeight: 458.527423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=C(C=C3)F)C)[O-]

Isomeric SMILES

CCCCCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=C(C=C3)F)C)[O-]

InChI

InChI=1S/C18H23FN4O5S2/c1-3-4-5-10-30(26,27)18-21-20-17(29-18)23(25)12-22(2)11-15(23)28-16(24)13-6-8-14(19)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3